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Butanoic acid, 3-(1-cyanoethoxy)-, [R-(R*,R*)]-
SpectraBase Compound ID AXSmeMC19dR
InChI InChI=1S/C7H11NO3/c1-5(3-7(9)10)11-6(2)4-8/h5-6H,3H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
InChIKey VGJALRWUIXQDMC-PHDIDXHHSA-N
Mol Weight 157.17 g/mol
Molecular Formula C7H11NO3
Exact Mass 157.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRMqV1Cp8bA
Name Butanoic acid, 3-(1-cyanoethoxy)-, [R-(R*,R*)]-
CAS Registry Number 99902-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO3
InChI InChI=1S/C7H11NO3/c1-5(3-7(9)10)11-6(2)4-8/h5-6H,3H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
InChIKey VGJALRWUIXQDMC-PHDIDXHHSA-N
Molecular Weight 157.169 g/mol
SMILES OC(C[C@](O[C@@](C#N)(C)[H])(C)[H])=O
SPLASH splash10-0f6w-9000000000-608385d1c5028d511dc5
Source of Spectrum H-70-462-27
Synonyms (3R)-3-{[(1R)-1-cyanoethyl]oxy}butanoic acid (3R,5R)-5-cyano-3-methyl-4-oxahexanesaure
Wiley ID 1154579